1-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(5-methoxy-1,2-dimethyl-3-indolyl)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O4/c1-16-23(20-14-19(31-3)8-9-21(20)24(16)2)22(28)15-25-10-12-26(13-11-25)17-4-6-18(7-5-17)27(29)30/h4-9,14H,10-13,15H2,1-3H3/p+1